4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine

C13H19ClN4O3S — CID 133373516

IUPAC4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN4O3S/c14-13-11-12(1-2-15-13)16-3-5-17(6-4-16)22(19,20)18-7-9-21-10-8-18/h1-2,11H,3-10H2
InChIKeySNGGOTKVWUDUHA-UHFFFAOYSA-N
MW346.84 g/mol
LogP0.43
Rot. Bonds3

About 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine

4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine (PubChem CID 133373516) has the molecular formula C13H19ClN4O3S and a molecular weight of 346.84 g/mol. Its IUPAC name is 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine
PubChem CID133373516
Molecular FormulaC13H19ClN4O3S
Molecular Weight346.84 g/mol
Exact Mass346.09
IUPAC Name4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine
SMILESO=S(=O)(N1CCOCC1)N1CCN(c2ccnc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN4O3S/c14-13-11-12(1-2-15-13)16-3-5-17(6-4-16)22(19,20)18-7-9-21-10-8-18/h1-2,11H,3-10H2
InChIKeySNGGOTKVWUDUHA-UHFFFAOYSA-N
XLogP0.43
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
CID 133373099
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
1-(2-chloro-4-pyridinyl)-4-(4-methylphenyl)-1,4-diazepane
CID 133359948
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
1-tert-butyl-4-(2-chloro-4-pyridinyl)piperazine
CID 103756521
3-(2,2-difluoroethyl)-7-(4-morpholin-4-ylsulfonylpiperazin-1-yl)quinazolin-4-one
CID 126897980
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 119181220
2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
CID 121204880
N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline
CID 163305256
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
[4-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-3-pyridinyl]methanol
CID 167865189
4-(3-chloroisoquinolin-5-yl)sulfonylmorpholine
CID 102039271

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine (CID 133373516) is 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine is O=S(=O)(N1CCOCC1)N1CCN(c2ccnc(Cl)c2)CC1.
What is the InChIKey of 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine?
The InChIKey is SNGGOTKVWUDUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O3S/c14-13-11-12(1-2-15-13)16-3-5-17(6-4-16)22(19,20)18-7-9-21-10-8-18/h1-2,11H,3-10H2.
What are the key properties of 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine?
4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine has a molecular weight of 346.84 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 133373516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).